ChemSpider 2D Image | (3beta,5alpha)-20-[(4-Aminobutyl)amino]pregnan-3-ol | C25H46N2O

(3β,5α)-20-[(4-Aminobutyl)amino]pregnan-3-ol

  • Molecular FormulaC25H46N2O
  • Average mass390.646 Da
  • Monoisotopic mass390.361023 Da
  • ChemSpider ID34247405

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3β,5α)-20-[(4-Aminobutyl)amino]pregnan-3-ol [German] [ACD/IUPAC Name]
(3β,5α)-20-[(4-Aminobutyl)amino]pregnan-3-ol [ACD/IUPAC Name]
(3β,5α)-20-[(4-Aminobutyl)amino]prégnan-3-ol [French] [ACD/IUPAC Name]
Pregnan-3-ol, 20-[(4-aminobutyl)amino]-, (3β,5α)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 506.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.3±6.0 kJ/mol
Flash Point: 259.9±23.2 °C
Index of Refraction: 1.526
Molar Refractivity: 118.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 385.2±3.0 cm3

Click to predict properties on the Chemicalize site


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